MMsINC Database Search


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MMsINC code: MMs02295112

Type: Neutral
Formula: C₁₈H₂₃O₆P

SMILES:

P(OC)(OC)(=O)C(O)(C(O)C(OC)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H23O6P/c1-22-16(14-10-6-4-7-11-14)17(19)18(20,25(21,23-2)24-3)15-12-8-5-9-13-15/h4-13,16-17,19-20H,1-3H3/t16-,17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.574 kcal/mol

Physical Properties
Molecular Weight: 366.35 g/mol	logS: -2.9407	SlogP: 2.403	Reactive groups: 0

Topological Properties
Globularity: 0.162376	Sterimol/B1: 2.40645	Sterimol/B2: 4.04536	Sterimol/B3: 5.27215
Sterimol/B4: 8.5162	Sterimol/L: 15.028

Surface and Volume Properties
Accessible surface: 577.181	Positive charged surface: 401.116	Negative charged surface: 176.064	Volume: 335.875
Hydrophobic surface: 508.902	Hydrophilic surface: 68.279

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02295113
NCID-ZINC01656848